Crystallography Open Database

Information card for entry 4075396

Preview

Coordinates	4075396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 Cl3 N3 O2 W
Calculated formula	C38 H36 Cl3 N3 O2 W
Title of publication	Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes
Authors of publication	Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3179
a	15.3023 ± 0.0019 Å
b	12.3796 ± 0.0015 Å
c	19.488 ± 0.003 Å
α	90°
β	93.025 ± 0.006°
γ	90°
Cell volume	3686.6 ± 0.9 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.848
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178642 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/53.	4075396.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075396.cif
49227	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075392, 4075393, 4075394, 4075395, 4075396 via cif-deposit CGI script.	4075396.cif